Mol:FL5FEANI0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.7084 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7084 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7037 -0.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7037 -0.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0054 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0054 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7173 -1.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7173 -1.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7263 -0.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7263 -0.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0131 0.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0131 0.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1492 -0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1492 -0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4408 0.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4408 0.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4083 0.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4083 0.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1298 -0.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1298 -0.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1372 -1.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1372 -1.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4322 -1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4322 -1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8630 0.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8630 0.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8535 1.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8535 1.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1342 1.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1342 1.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4388 1.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4388 1.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4322 -2.2794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4322 -2.2794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0054 -2.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0054 -2.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4317 -1.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4317 -1.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8443 0.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8443 0.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5680 1.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5680 1.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.5680 -1.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5680 -1.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1342 2.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1342 2.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.7104 1.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7104 1.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0194 2.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0194 2.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7154 2.2914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7154 2.2914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1489 -2.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1489 -2.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 5 1 0 0 0 0 | + | 8 5 1 0 0 0 0 |
| − | 2 9 2 0 0 0 0 | + | 2 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 1 2 0 0 0 0 | + | 12 1 2 0 0 0 0 |
| − | 7 13 2 0 0 0 0 | + | 7 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 8 2 0 0 0 0 | + | 16 8 2 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 3 18 2 0 0 0 0 | + | 3 18 2 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 10 20 1 0 0 0 0 | + | 10 20 1 0 0 0 0 |
| − | 21 14 1 0 0 0 0 | + | 21 14 1 0 0 0 0 |
| − | 11 22 1 0 0 0 0 | + | 11 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 15 24 1 0 0 0 0 | + | 15 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 17 30 1 0 0 0 0 | + | 17 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FEANI0006 | + | ID FL5FEANI0006 |
| − | KNApSAcK_ID C00013520 | + | KNApSAcK_ID C00013520 |
| − | NAME 3,7-Dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)phenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one | + | NAME 3,7-Dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)phenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 343337-04-2 | + | CAS_RN 343337-04-2 |
| − | FORMULA C22H24O8 | + | FORMULA C22H24O8 |
| − | EXACTMASS 416.14711774399996 | + | EXACTMASS 416.14711774399996 |
| − | AVERAGEMASS 416.42116000000004 | + | AVERAGEMASS 416.42116000000004 |
| − | SMILES C(C(C)CCc(c1)c(O)ccc1C(=C3O)Oc(c(C3=O)2)cc(O)c(OC)c(OC)2)O | + | SMILES C(C(C)CCc(c1)c(O)ccc1C(=C3O)Oc(c(C3=O)2)cc(O)c(OC)c(OC)2)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
-0.7084 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7037 -0.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0054 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7173 -1.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7263 -0.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0131 0.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1492 -0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4408 0.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4083 0.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1298 -0.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1372 -1.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4322 -1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8630 0.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8535 1.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1342 1.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4388 1.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4322 -2.2794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0054 -2.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4317 -1.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8443 0.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5680 1.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8516 -1.4506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5680 -1.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1342 2.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4160 2.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7104 2.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7104 1.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0194 2.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7154 2.2914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1489 -2.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 2 1 0 0 0 0
7 8 1 0 0 0 0
8 5 1 0 0 0 0
2 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 1 2 0 0 0 0
7 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 8 2 0 0 0 0
12 17 1 0 0 0 0
3 18 2 0 0 0 0
4 19 1 0 0 0 0
10 20 1 0 0 0 0
21 14 1 0 0 0 0
11 22 1 0 0 0 0
22 23 1 0 0 0 0
15 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
28 29 1 0 0 0 0
17 30 1 0 0 0 0
S SKP 8
ID FL5FEANI0006
KNApSAcK_ID C00013520
NAME 3,7-Dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)phenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one
CAS_RN 343337-04-2
FORMULA C22H24O8
EXACTMASS 416.14711774399996
AVERAGEMASS 416.42116000000004
SMILES C(C(C)CCc(c1)c(O)ccc1C(=C3O)Oc(c(C3=O)2)cc(O)c(OC)c(OC)2)O
M END
